From eee0f2b9d59c8ae57c7a4b4e6dd25fd97b99e21e Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Wed, 22 Dec 2021 21:42:14 -0700 Subject: votca-*: merge packages into one (#28073) * votca-*: merge packages into one * Update package.py * votca-*: make old version as deprecated * votca-*: mark stable deprecated as well --- .../packages/votca-csg-tutorials/package.py | 30 +++++----- .../repos/builtin/packages/votca-csg/package.py | 30 +++++----- .../builtin/packages/votca-csgapps/package.py | 18 +++--- .../repos/builtin/packages/votca-ctp/package.py | 5 +- .../repos/builtin/packages/votca-tools/package.py | 27 +++++---- .../repos/builtin/packages/votca-xtp/package.py | 27 +++++---- var/spack/repos/builtin/packages/votca/package.py | 64 ++++++++++++++++++++++ 7 files changed, 129 insertions(+), 72 deletions(-) create mode 100644 var/spack/repos/builtin/packages/votca/package.py diff --git a/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py b/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py index d544770e9c..a871a3c396 100644 --- a/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py +++ b/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py @@ -20,23 +20,21 @@ class VotcaCsgTutorials(CMakePackage): git = "https://github.com/votca/csg-tutorials.git" maintainers = ['junghans'] - version('master', branch='master') - version('stable', branch='stable') - version('2021.2', sha256='156c5ec55a288e3013d393e66a1d2f09ebf4f14056d50d081535004696e7f5ba') - version('2021.1', sha256='5ea1e6ca370e6e7845f9195495f5fb8bbd72d601980e123ae7852f491f03949a') - version('2021', sha256='2b85c69007bb7d773529020e55fd82fed65651ee21eedccca9a801ab248ece97') - version('1.6.4', sha256='34ef40db6b178a7f513f8a6f43e7caff6ecb498d66d7bf8bc44900bc7aea31dc') - version('1.6.3', sha256='709582b978d84f9de09ae6c3ba4ed28daec886d4e0431bc7d19c7246bd65f0b1') - version('1.6.2', sha256='7c25e76391f3ffdd15f8a91aeed2d3ce7377591f128ed4ae34b36eca20e5af8f') - version('1.6.1', sha256='d8428c4a03ce42d88317045ec555af3defa022fd9a61f05e07b57c5577288c8c') - version('1.6', sha256='54946c647724f1beb95942d47ec7f4cf7a95a59ec7268522693d5ec723585daf') - version('1.5.1', sha256='e35cea92df0e7d05ca7b449c1b5d84d887a3a23c7796abe3b84e4d6feec7faca') - version('1.5', sha256='03b841fb94129cf59781a7a5e3b71936c414aa9dfa17a50d7bc856d46274580c') - version('1.4.1', sha256='623724192c3a7d76b603a74a3326f181045f10f38b9f56dce754a90f1a74556e') - version('1.4', sha256='27d50acd68a9d8557fef18ec2b0c62841ae91c22275ab9afbd65c35e4dd5f719') + version('stable', branch='stable', deprecated=True) + version('2021.2', sha256='156c5ec55a288e3013d393e66a1d2f09ebf4f14056d50d081535004696e7f5ba', deprecated=True) + version('2021.1', sha256='5ea1e6ca370e6e7845f9195495f5fb8bbd72d601980e123ae7852f491f03949a', deprecated=True) + version('2021', sha256='2b85c69007bb7d773529020e55fd82fed65651ee21eedccca9a801ab248ece97', deprecated=True) + version('1.6.4', sha256='34ef40db6b178a7f513f8a6f43e7caff6ecb498d66d7bf8bc44900bc7aea31dc', deprecated=True) + version('1.6.3', sha256='709582b978d84f9de09ae6c3ba4ed28daec886d4e0431bc7d19c7246bd65f0b1', deprecated=True) + version('1.6.2', sha256='7c25e76391f3ffdd15f8a91aeed2d3ce7377591f128ed4ae34b36eca20e5af8f', deprecated=True) + version('1.6.1', sha256='d8428c4a03ce42d88317045ec555af3defa022fd9a61f05e07b57c5577288c8c', deprecated=True) + version('1.6', sha256='54946c647724f1beb95942d47ec7f4cf7a95a59ec7268522693d5ec723585daf', deprecated=True) + version('1.5.1', sha256='e35cea92df0e7d05ca7b449c1b5d84d887a3a23c7796abe3b84e4d6feec7faca', deprecated=True) + version('1.5', sha256='03b841fb94129cf59781a7a5e3b71936c414aa9dfa17a50d7bc856d46274580c', deprecated=True) + version('1.4.1', sha256='623724192c3a7d76b603a74a3326f181045f10f38b9f56dce754a90f1a74556e', deprecated=True) + version('1.4', sha256='27d50acd68a9d8557fef18ec2b0c62841ae91c22275ab9afbd65c35e4dd5f719', deprecated=True) for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2", - "1.6.3", "1.6.4", "2021", "2021.1", "2021.2", "master", - "stable"]: + "1.6.3", "1.6.4", "2021", "2021.1", "2021.2", "stable"]: depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v)) depends_on("boost") diff --git a/var/spack/repos/builtin/packages/votca-csg/package.py b/var/spack/repos/builtin/packages/votca-csg/package.py index 986d064e87..83ce2cedb2 100644 --- a/var/spack/repos/builtin/packages/votca-csg/package.py +++ b/var/spack/repos/builtin/packages/votca-csg/package.py @@ -20,25 +20,23 @@ class VotcaCsg(CMakePackage): git = "https://github.com/votca/csg.git" maintainers = ['junghans'] - version('master', branch='master') - version('stable', branch='stable') - version('2021.2', sha256='4c58ea90cc1b7fe95f7bc00634faadba945316417e741192d715cea6aa83f4ac') - version('2021.1', sha256='1e9cf90ddd7539e711e795292b721a4ee130a2089e659fa068a12960b77fff14') - version('2021', sha256='d66c9b30ce2a56d630d5db281444447d398be643005ebea70d3735fb60357305') - version('1.6.4', sha256='eae771b623f3c3edb09744030d053f10c75d64bad919df26c4f9bf3bfaa1cf86') - version('1.6.3', sha256='35456b1f3116364b10ada37d99798294bd2d3df2e670cef3936251f88036ef88') - version('1.6.2', sha256='96b244b282005259832ed6ec0dc22dafe132dcfc3d73dcd8e53b62f40befb545') - version('1.6.1', sha256='ed12bcb1ccdf71f54e21cdcc9803add4b8ebdc6b8263cb5b0034f5db01e31dbb') - version('1.6', sha256='8cf6a4ac3ef7347c720a44d8a676f8cbd1462e162f6113de39f27b89354465ea') - version('1.5.1', sha256='7fca1261bd267bf38d2edd26259730fed3126c0c3fd91fb81940dbe17bb568fd') - version('1.5', sha256='160387cdc51f87dd20ff2e2eed97086beee415d48f3c92f4199f6109068c8ff4') - version('1.4.1', sha256='41dccaecadd0165c011bec36a113629e27745a5a133d1a042efe4356acdb5450') - version('1.4', sha256='c13e7febd792de8c3d426203f089bd4d33b8067f9db5e8840e4579c88b61146e') + version('stable', branch='stable', deprecated=True) + version('2021.2', sha256='4c58ea90cc1b7fe95f7bc00634faadba945316417e741192d715cea6aa83f4ac', deprecated=True) + version('2021.1', sha256='1e9cf90ddd7539e711e795292b721a4ee130a2089e659fa068a12960b77fff14', deprecated=True) + version('2021', sha256='d66c9b30ce2a56d630d5db281444447d398be643005ebea70d3735fb60357305', deprecated=True) + version('1.6.4', sha256='eae771b623f3c3edb09744030d053f10c75d64bad919df26c4f9bf3bfaa1cf86', deprecated=True) + version('1.6.3', sha256='35456b1f3116364b10ada37d99798294bd2d3df2e670cef3936251f88036ef88', deprecated=True) + version('1.6.2', sha256='96b244b282005259832ed6ec0dc22dafe132dcfc3d73dcd8e53b62f40befb545', deprecated=True) + version('1.6.1', sha256='ed12bcb1ccdf71f54e21cdcc9803add4b8ebdc6b8263cb5b0034f5db01e31dbb', deprecated=True) + version('1.6', sha256='8cf6a4ac3ef7347c720a44d8a676f8cbd1462e162f6113de39f27b89354465ea', deprecated=True) + version('1.5.1', sha256='7fca1261bd267bf38d2edd26259730fed3126c0c3fd91fb81940dbe17bb568fd', deprecated=True) + version('1.5', sha256='160387cdc51f87dd20ff2e2eed97086beee415d48f3c92f4199f6109068c8ff4', deprecated=True) + version('1.4.1', sha256='41dccaecadd0165c011bec36a113629e27745a5a133d1a042efe4356acdb5450', deprecated=True) + version('1.4', sha256='c13e7febd792de8c3d426203f089bd4d33b8067f9db5e8840e4579c88b61146e', deprecated=True) depends_on("cmake@2.8:", type='build') for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2", - "1.6.3", "1.6.4", "2021", "2021.1", "2021.2", "master", - "stable"]: + "1.6.3", "1.6.4", "2021", "2021.1", "2021.2", "stable"]: depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v)) depends_on("boost") depends_on("gromacs~mpi@5.1:2019") diff --git a/var/spack/repos/builtin/packages/votca-csgapps/package.py b/var/spack/repos/builtin/packages/votca-csgapps/package.py index 8b90e7ba8a..c2978d9e62 100644 --- a/var/spack/repos/builtin/packages/votca-csgapps/package.py +++ b/var/spack/repos/builtin/packages/votca-csgapps/package.py @@ -20,15 +20,15 @@ class VotcaCsgapps(CMakePackage): git = "https://github.com/votca/csgapps.git" maintainers = ['junghans'] - version('1.6.4', sha256='ef3d6fbc7f2ff2f29af7d170a5351ae3c37f52ca4c2b1697b1d2e30c26ff4eb1') - version('1.6.3', sha256='fdb6a94eabdfe1bfae6002da16e364086d036c2dc24700a941b73d5bb1afc422') - version('1.6.2', sha256='f7db0bda27d4419c570f44dc60d04b1fd7b4cdcf10db6301005fca70111fcfe3') - version('1.6.1', sha256='03c7cef2a76e73cf953b2b5ea2cdca765ec1a2627d0a9d8869d46166e63d197c') - version('1.6', sha256='084bbc5b179bb7eb8f6671d2d5fa13e69e68946570c9120a7e4b10aff1866e2e') - version('1.5.1', sha256='b4946711e88a1745688b6cce5aad872e6e2ea200fededf38d77a864883e3750e') - version('1.5', sha256='18b40ce6222509bc70aa9d56b8c538cd5903edf7294d6f95530668e555206d5b') - version('1.4.1', sha256='095d9ee4cd49d2fd79c10e0e84e6890b755e54dec6a5cd580a2b4241ba230a2b') - version('1.4', sha256='4ea8348c2f7de3cc488f48fbd8652e69b52515441952766c06ff67ed1aaf69a0') + version('1.6.4', sha256='ef3d6fbc7f2ff2f29af7d170a5351ae3c37f52ca4c2b1697b1d2e30c26ff4eb1', deprecated=True) + version('1.6.3', sha256='fdb6a94eabdfe1bfae6002da16e364086d036c2dc24700a941b73d5bb1afc422', deprecated=True) + version('1.6.2', sha256='f7db0bda27d4419c570f44dc60d04b1fd7b4cdcf10db6301005fca70111fcfe3', deprecated=True) + version('1.6.1', sha256='03c7cef2a76e73cf953b2b5ea2cdca765ec1a2627d0a9d8869d46166e63d197c', deprecated=True) + version('1.6', sha256='084bbc5b179bb7eb8f6671d2d5fa13e69e68946570c9120a7e4b10aff1866e2e', deprecated=True) + version('1.5.1', sha256='b4946711e88a1745688b6cce5aad872e6e2ea200fededf38d77a864883e3750e', deprecated=True) + version('1.5', sha256='18b40ce6222509bc70aa9d56b8c538cd5903edf7294d6f95530668e555206d5b', deprecated=True) + version('1.4.1', sha256='095d9ee4cd49d2fd79c10e0e84e6890b755e54dec6a5cd580a2b4241ba230a2b', deprecated=True) + version('1.4', sha256='4ea8348c2f7de3cc488f48fbd8652e69b52515441952766c06ff67ed1aaf69a0', deprecated=True) for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2", "1.6.3", "1.6.4"]: diff --git a/var/spack/repos/builtin/packages/votca-ctp/package.py b/var/spack/repos/builtin/packages/votca-ctp/package.py index 74c2819810..d3c7db41a7 100644 --- a/var/spack/repos/builtin/packages/votca-ctp/package.py +++ b/var/spack/repos/builtin/packages/votca-ctp/package.py @@ -19,9 +19,8 @@ class VotcaCtp(CMakePackage): url = "https://github.com/votca/ctp/tarball/v1.5" git = "https://github.com/votca/ctp.git" - version('master', branch='master') - version('1.5.1', sha256='ef957c2f6b09335d0d27ecb7e1b80b55e76a100247bc0d0b3cfef7718d2a1126') - version('1.5', sha256='31eb6bcc9339e575116f0c91fe7a4ce7d4189f31f0640329c993fea911401d65') + version('1.5.1', sha256='ef957c2f6b09335d0d27ecb7e1b80b55e76a100247bc0d0b3cfef7718d2a1126', deprecated=True) + version('1.5', sha256='31eb6bcc9339e575116f0c91fe7a4ce7d4189f31f0640329c993fea911401d65', deprecated=True) depends_on("cmake@2.8:", type='build') depends_on('votca-tools@1.5.1') diff --git a/var/spack/repos/builtin/packages/votca-tools/package.py b/var/spack/repos/builtin/packages/votca-tools/package.py index 0c72242b0c..a253b9857d 100644 --- a/var/spack/repos/builtin/packages/votca-tools/package.py +++ b/var/spack/repos/builtin/packages/votca-tools/package.py @@ -20,20 +20,19 @@ class VotcaTools(CMakePackage): git = "https://github.com/votca/tools.git" maintainers = ['junghans'] - version('master', branch='master') - version('stable', branch='stable') - version('2021.2', sha256='2cd3175b65924803aff90dce49f60e1dda9015988a453d60358e51f0dbb4292d') - version('2021.1', sha256='c2fdf5ab72fc75580fb3623182fa88dd0eed856388bdc862aff42148bb0a16e7') - version('2021', sha256='b84f68ba4a8bfae7b06b61e1e078dcbfb3b340c516da3be39ef545152da00ccd') - version('1.6.4', sha256='aa79ef4617a80ba3ca063932d5ee0d5767c0285b4b613abd373ad3c986ab9f4c') - version('1.6.3', sha256='b4ba63861f4342070d81309992f76c4cc798dffeab894bff64799881e75b3cc2') - version('1.6.2', sha256='1b31e0dd7550b80b963e6714d671f3516d68ebc1e75068a5d827a6e8b4f1759a') - version('1.6.1', sha256='3e8f51d484cb3fdfbeb851aab387807ba4c40aecef8317c90182da68ad282dcc') - version('1.6', sha256='cfd0fedc80fecd009f743b5df47777508d76bf3ef294a508a9f11fbb42efe9a5') - version('1.5.1', sha256='4be4fe25a2910e24e1720cd9022d214001d38196033ade8f9d6e618b4f47d5c4') - version('1.5', sha256='a82a6596c24ff06e79eab17ca02f4405745ceeeb66369693a59023ad0b62cf22') - version('1.4.1', sha256='b6b87f6bec8db641a1d8660422ca44919252a69494b32ba6c8c9ac986bae9a65') - version('1.4', sha256='41638122e7e59852af61d391b4ab8c308fd2e16652f768077e13a99d206ec5d3') + version('stable', branch='stable', deprecated=True) + version('2021.2', sha256='2cd3175b65924803aff90dce49f60e1dda9015988a453d60358e51f0dbb4292d', deprecated=True) + version('2021.1', sha256='c2fdf5ab72fc75580fb3623182fa88dd0eed856388bdc862aff42148bb0a16e7', deprecated=True) + version('2021', sha256='b84f68ba4a8bfae7b06b61e1e078dcbfb3b340c516da3be39ef545152da00ccd', deprecated=True) + version('1.6.4', sha256='aa79ef4617a80ba3ca063932d5ee0d5767c0285b4b613abd373ad3c986ab9f4c', deprecated=True) + version('1.6.3', sha256='b4ba63861f4342070d81309992f76c4cc798dffeab894bff64799881e75b3cc2', deprecated=True) + version('1.6.2', sha256='1b31e0dd7550b80b963e6714d671f3516d68ebc1e75068a5d827a6e8b4f1759a', deprecated=True) + version('1.6.1', sha256='3e8f51d484cb3fdfbeb851aab387807ba4c40aecef8317c90182da68ad282dcc', deprecated=True) + version('1.6', sha256='cfd0fedc80fecd009f743b5df47777508d76bf3ef294a508a9f11fbb42efe9a5', deprecated=True) + version('1.5.1', sha256='4be4fe25a2910e24e1720cd9022d214001d38196033ade8f9d6e618b4f47d5c4', deprecated=True) + version('1.5', sha256='a82a6596c24ff06e79eab17ca02f4405745ceeeb66369693a59023ad0b62cf22', deprecated=True) + version('1.4.1', sha256='b6b87f6bec8db641a1d8660422ca44919252a69494b32ba6c8c9ac986bae9a65', deprecated=True) + version('1.4', sha256='41638122e7e59852af61d391b4ab8c308fd2e16652f768077e13a99d206ec5d3', deprecated=True) # https://github.com/votca/tools/pull/229, fix mkl in exported target patch("https://github.com/votca/tools/pull/229.patch", sha256="250d0b679e5d3104e3c8d6adf99751b71386c7ed4cbdae1c75408717ef3f401f", when="@1.6:1.6.0+mkl") diff --git a/var/spack/repos/builtin/packages/votca-xtp/package.py b/var/spack/repos/builtin/packages/votca-xtp/package.py index c9b24f784f..141afdb44c 100644 --- a/var/spack/repos/builtin/packages/votca-xtp/package.py +++ b/var/spack/repos/builtin/packages/votca-xtp/package.py @@ -20,24 +20,23 @@ class VotcaXtp(CMakePackage): git = "https://github.com/votca/xtp.git" maintainers = ['junghans'] - version('master', branch='master') - version('stable', branch='stable') - version('2021.2', sha256='a13180cc05a24c441326a2b209e4d1cc6b176f1b8d7aec1aea46b627e230ff8c') - version('2021.1', sha256='8ce112fc40676690369133188848dfeb3875d57351286cad4c312057a4dd767b') - version('2021', sha256='43bb5a52fec675738f4b5896f0833a1c1090bd7e74f97769697495abf4652e40') - version('1.6.4', sha256='699a835954556cf6b2f20dac7942c1761c6dd6c6c3fbdde62c8bfcfd71ee075b') - version('1.6.3', sha256='757b9a6a470b3c356f638d62269c5b72b8ace374f006658aef8bb6afd1ad1413') - version('1.6.2', sha256='b51a28cddceca6998b981ad61466617ad624d577ce424c0653d92a680f460061') - version('1.6.1', sha256='886af50bc12457bbafb06dc927b7fd4cadc3db1b4615b24a08953f6b358debef') - version('1.6', sha256='695c2d9d3f924103481529f992e3723bdce10b8edfc294421a849cdf51dbbb6e') - version('1.5.1', sha256='17a7722e5a32d236e4f1f6f88b680da4ba5f52bcf65bca3687c6a1c731d10881') - version('1.5', sha256='b40b6d19e13f0650e84b8beebe86ce5c09071624f18d66df826f9d8584b4d3c8') - version('1.4.1', sha256='4b53d371d6cf648c9e9e9bd1f104d349cafeaf10a02866e3f1d05c574b595a21') + version('stable', branch='stable', deprecated=True) + version('2021.2', sha256='a13180cc05a24c441326a2b209e4d1cc6b176f1b8d7aec1aea46b627e230ff8c', deprecated=True) + version('2021.1', sha256='8ce112fc40676690369133188848dfeb3875d57351286cad4c312057a4dd767b', deprecated=True) + version('2021', sha256='43bb5a52fec675738f4b5896f0833a1c1090bd7e74f97769697495abf4652e40', deprecated=True) + version('1.6.4', sha256='699a835954556cf6b2f20dac7942c1761c6dd6c6c3fbdde62c8bfcfd71ee075b', deprecated=True) + version('1.6.3', sha256='757b9a6a470b3c356f638d62269c5b72b8ace374f006658aef8bb6afd1ad1413', deprecated=True) + version('1.6.2', sha256='b51a28cddceca6998b981ad61466617ad624d577ce424c0653d92a680f460061', deprecated=True) + version('1.6.1', sha256='886af50bc12457bbafb06dc927b7fd4cadc3db1b4615b24a08953f6b358debef', deprecated=True) + version('1.6', sha256='695c2d9d3f924103481529f992e3723bdce10b8edfc294421a849cdf51dbbb6e', deprecated=True) + version('1.5.1', sha256='17a7722e5a32d236e4f1f6f88b680da4ba5f52bcf65bca3687c6a1c731d10881', deprecated=True) + version('1.5', sha256='b40b6d19e13f0650e84b8beebe86ce5c09071624f18d66df826f9d8584b4d3c8', deprecated=True) + version('1.4.1', sha256='4b53d371d6cf648c9e9e9bd1f104d349cafeaf10a02866e3f1d05c574b595a21', deprecated=True) depends_on("cmake@2.8:", type='build') for v in ["1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2", "1.6.3", "1.6.4", "2021", "2021.1", "2021.2", - "master", "stable"]: + "stable"]: depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v)) depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v)) depends_on("libxc", when='@stable,1.5:') diff --git a/var/spack/repos/builtin/packages/votca/package.py b/var/spack/repos/builtin/packages/votca/package.py new file mode 100644 index 0000000000..647a5ed13a --- /dev/null +++ b/var/spack/repos/builtin/packages/votca/package.py @@ -0,0 +1,64 @@ +# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other +# Spack Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: (Apache-2.0 OR MIT) + + +from spack import * + + +class Votca(CMakePackage): + """VOTCA is a software package which focuses on the analysis of molecular + dynamics data, the development of systematic coarse-graining techniques + as well as methods used for simulating microscopic charge (and exciton) + transport in disordered semiconductors. + """ + homepage = "https://www.votca.org" + url = "https://github.com/votca/votca/tarball/v2022-rc.1" + git = "https://github.com/votca/xtp.git" + maintainers = ['junghans'] + + version('master', branch='master') + version('stable', branch='stable') + version('2022-rc.2', sha256='eefde51470ec1437d0127fb02c2745f33e434deff53cdaee97691c36ce447fb1') + version('2022-rc.1', sha256='d53ca9fde364a97d91bf3bed15223536ffa598b2dec7bccd459accae265391b1') + + variant('mkl', default=False, description='Build with MKL support') + variant('new-gmx', default=False, description='Build against gromacs>2019 - no tabulated kernels') + conflicts('votca-tools') + conflicts('votca-csg') + conflicts('votca-xtp') + + depends_on("cmake@3.13:", type='build') + depends_on("expat") + depends_on("fftw-api@3") + depends_on("eigen@3.3:") + depends_on("boost") + depends_on('mkl', when='+mkl') + depends_on("libxc") + depends_on("hdf5+cxx~mpi") + depends_on("libint@2.6.0:") + depends_on("libecpint") + depends_on("py-h5py") + depends_on("py-lxml") + depends_on("gromacs~mpi@5.1:") + depends_on("gromacs~mpi@5.1:2019", when="~new-gmx") + depends_on('lammps', type='test') + depends_on('py-espresso', type='test') + depends_on('py-pytest', type='test') + + def cmake_args(self): + args = [ + '-DINSTALL_RC_FILES=OFF', + '-DBUILD_XTP=ON', + '-DBUILD_CSGAPPS=ON', + ] + + if '~mkl' in self.spec: + args.append('-DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON') + + if self.run_tests: + args.append('-DENABLE_TESTING=ON') + args.append('-DENABLE_REGRESSION_TESTING=ON') + + return args -- cgit v1.2.3-70-g09d2