From 6d0d8d021ad54ac7ebac2535dbde7b6a09db0048 Mon Sep 17 00:00:00 2001 From: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com> Date: Fri, 8 Oct 2021 21:54:40 +0200 Subject: py-pymatgen: fix build of old versions, bump version to 2021.3.9 (#26249) Co-authored-by: Adam J. Stewart --- .../repos/builtin/packages/py-monty/package.py | 4 +++- .../repos/builtin/packages/py-pymatgen/package.py | 28 ++++++++++++++++++---- .../builtin/packages/py-ruamel-yaml/package.py | 3 +++ .../repos/builtin/packages/py-spglib/package.py | 1 + .../builtin/packages/py-uncertainties/package.py | 1 + 5 files changed, 32 insertions(+), 5 deletions(-) (limited to 'var') diff --git a/var/spack/repos/builtin/packages/py-monty/package.py b/var/spack/repos/builtin/packages/py-monty/package.py index 394bfa3779..8405a440ac 100644 --- a/var/spack/repos/builtin/packages/py-monty/package.py +++ b/var/spack/repos/builtin/packages/py-monty/package.py @@ -12,7 +12,9 @@ class PyMonty(PythonPackage): homepage = "https://github.com/materialsvirtuallab/monty" pypi = "monty/monty-0.9.6.tar.gz" + version('2021.8.17', sha256='d4d5b85566bda80360e275e6ffb72228d203de68c5155446a0e09f19c63e8540') version('0.9.6', sha256='bbf05646c4e86731c2398a57b1044add7487fc4ad03122578599ddd9a8892780') + depends_on('python@3.5:', type=('build', 'run')) depends_on('py-setuptools', type='build') - depends_on('py-six', type=('build', 'run')) + depends_on('py-six', type=('build', 'run'), when='@:1') diff --git a/var/spack/repos/builtin/packages/py-pymatgen/package.py b/var/spack/repos/builtin/packages/py-pymatgen/package.py index c0e8710772..28d4bf1c4a 100644 --- a/var/spack/repos/builtin/packages/py-pymatgen/package.py +++ b/var/spack/repos/builtin/packages/py-pymatgen/package.py @@ -15,21 +15,41 @@ class PyPymatgen(PythonPackage): homepage = "http://www.pymatgen.org/" pypi = "pymatgen/pymatgen-4.7.2.tar.gz" + version('2021.3.9', sha256='a6f22d69133a48b7801bfd5e6a2878b47b4b4b2ef1a377b87c6c573be14cbf16') version('4.7.2', sha256='e439b78cc3833a03963c3c3efe349d8a0e52a1550c8a05c56a89aa1b86657436') version('4.6.2', sha256='f34349090c6f604f7d402cb09cd486830b38523639d7160d7fd282d504036a0e') - extends('python', ignore='bin/tabulate') + # Old versions come pre-cythonized and so don't support newer python versions + # and 2021.1.1 and newer require Python >= 3.7 + extends('python@:3.6', ignore='bin/tabulate', when='@:4.7.2') + extends('python@3.7:', ignore='bin/tabulate', when='@2021.1.1:') depends_on('py-setuptools@18.0:', type='build') depends_on('py-numpy@1.9:', type=('build', 'run')) - depends_on('py-six', type=('build', 'run')) + depends_on('py-six', type=('build', 'run'), when='@:4.7.2') depends_on('py-requests', type=('build', 'run')) - depends_on('py-pyyaml@3.11:', type=('build', 'run')) + depends_on('py-pyyaml@3.11:', type=('build', 'run'), when='@:4.7.2') depends_on('py-monty@0.9.6:', type=('build', 'run')) depends_on('py-scipy@0.14:', type=('build', 'run')) - depends_on('py-pydispatcher@2.0.5:', type=('build', 'run')) + depends_on('py-pydispatcher@2.0.5:', type=('build', 'run'), when='@:4.7.2') depends_on('py-tabulate', type=('build', 'run')) depends_on('py-spglib@1.9.8.7:', type=('build', 'run')) depends_on('py-matplotlib@1.5:', type=('build', 'run')) depends_on('py-palettable@2.1.1:', type=('build', 'run')) + + # dependencies of never versions + depends_on('py-matplotlib@1.5:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-monty@3.0.2:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-numpy@1.20.1:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-palettable@3.1.1:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-pandas', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-plotly@4.5.0:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-ruamel-yaml@0.15.6:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-scipy@1.5.0:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-spglib@1.9.9.44:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-sympy', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-uncertainties@3.1.4:', when='@2021.1.1:', type=('build', 'run')) + depends_on('py-networkx@2.2:', when='@2021.1.1:', type=('build', 'run')) + # while optional, for imports of spack install --test=root, these are required + depends_on('py-netcdf4@1.5.3:', when='@2021.1.1:', type=('test')) diff --git a/var/spack/repos/builtin/packages/py-ruamel-yaml/package.py b/var/spack/repos/builtin/packages/py-ruamel-yaml/package.py index 3375827faf..640f749ff9 100644 --- a/var/spack/repos/builtin/packages/py-ruamel-yaml/package.py +++ b/var/spack/repos/builtin/packages/py-ruamel-yaml/package.py @@ -15,12 +15,15 @@ class PyRuamelYaml(PythonPackage): homepage = "https://sourceforge.net/p/ruamel-yaml/code/ci/default/tree" pypi = "ruamel.yaml/ruamel.yaml-0.16.10.tar.gz" + version('0.17.16', sha256='1a771fc92d3823682b7f0893ad56cb5a5c87c48e62b5399d6f42c8759a583b33') version('0.16.10', sha256='099c644a778bf72ffa00524f78dd0b6476bca94a1da344130f4bf3381ce5b954') version('0.16.5', sha256='412a6f5cfdc0525dee6a27c08f5415c7fd832a7afcb7a0ed7319628aed23d408') version('0.11.7', sha256='c89363e16c9eafb9354e55d757723efeff8682d05e56b0881450002ffb00a344') depends_on('python@2.7:2.8,3.5:', type=('build', 'run')) + depends_on('python@3.5:', when='@0.17:', type=('build', 'run')) depends_on('py-setuptools', type='build') + depends_on('py-setuptools@28.7:', when='@0.17:', type=('build')) depends_on('py-ruamel-ordereddict', when='@0.15:^python@:2', type=('build', 'run')) depends_on('py-ruamel-yaml-clib@0.1.2:', when='@0.16:^python@:3.8', type=('build', 'run')) diff --git a/var/spack/repos/builtin/packages/py-spglib/package.py b/var/spack/repos/builtin/packages/py-spglib/package.py index 064cec083f..d7a2bf9e5b 100644 --- a/var/spack/repos/builtin/packages/py-spglib/package.py +++ b/var/spack/repos/builtin/packages/py-spglib/package.py @@ -13,6 +13,7 @@ class PySpglib(PythonPackage): homepage = "https://atztogo.github.io/spglib/" pypi = "spglib/spglib-1.9.9.18.tar.gz" + version('1.16.1', sha256='9fd2fefbd83993b135877a69c498d8ddcf20a9980562b65b800cfb4cdadad003') version('1.9.9.18', sha256='cbbb8383320b500dc6100b83d5e914a26a97ef8fc97c82d8921b10220e4126cd') # Most Python packages only require setuptools as a build dependency. diff --git a/var/spack/repos/builtin/packages/py-uncertainties/package.py b/var/spack/repos/builtin/packages/py-uncertainties/package.py index 8a1d8f0dda..f1e55c2363 100644 --- a/var/spack/repos/builtin/packages/py-uncertainties/package.py +++ b/var/spack/repos/builtin/packages/py-uncertainties/package.py @@ -14,6 +14,7 @@ class PyUncertainties(PythonPackage): homepage = "https://uncertainties-python-package.readthedocs.io/en/latest/" pypi = "uncertainties/uncertainties-3.1.4.tar.gz" + version('3.1.6', sha256='7c4db5aaafd227e95485b61fba5d235dc8133aeecd98f8fc1224c038ce063e2d') version('3.1.4', sha256='63548a94899f2a51eeb89b640f6ac311f481a8016b37dce157186e44619bc968') variant('optional', default=False, description='Enable extra features involving numpy') -- cgit v1.2.3-60-g2f50