summaryrefslogtreecommitdiff
diff options
context:
space:
mode:
authorRĂ©mi Lacroix <remi.lacroix@idris.fr>2022-12-27 21:33:48 +0100
committerTodd Gamblin <tgamblin@llnl.gov>2022-12-27 13:06:08 -0800
commitb43a27674b0380f0250805d95dff610b7656dd6f (patch)
tree484b8941080a05c43c38b3b7c98a5e69e6fe1733
parent3d961b9a1f129b1d1be98b4e50d6dafd7888097a (diff)
downloadspack-b43a27674b0380f0250805d95dff610b7656dd6f.tar.gz
spack-b43a27674b0380f0250805d95dff610b7656dd6f.tar.bz2
spack-b43a27674b0380f0250805d95dff610b7656dd6f.tar.xz
spack-b43a27674b0380f0250805d95dff610b7656dd6f.zip
CPMD: Update for open-source release
CPMD has been open-sourced on GitHub so manual download is no longer needed. The patches have been included in the new 4.3 release.
-rw-r--r--var/spack/repos/builtin/packages/cpmd/package.py41
1 files changed, 3 insertions, 38 deletions
diff --git a/var/spack/repos/builtin/packages/cpmd/package.py b/var/spack/repos/builtin/packages/cpmd/package.py
index 18d7cad4ed..8dff02bfc4 100644
--- a/var/spack/repos/builtin/packages/cpmd/package.py
+++ b/var/spack/repos/builtin/packages/cpmd/package.py
@@ -11,16 +11,12 @@ from spack.package import *
class Cpmd(MakefilePackage):
"""The CPMD code is a parallelized plane wave / pseudopotential
implementation of Density Functional Theory, particularly
- designed for ab-initio molecular dynamics.
- Move to new directory, download CPMD main archive and patch.to.XXXXs
- manually, and run Spack"""
+ designed for ab-initio molecular dynamics."""
homepage = "https://www.cpmd.org/wordpress/"
- basedir = os.getcwd()
- url = "file://{0}/cpmd-v4.3.tar.gz".format(basedir)
- manual_download = True
+ url = "https://github.com/CPMD-code/CPMD/archive/refs/tags/4.3.tar.gz"
- version("4.3", sha256="4f31ddf045f1ae5d6f25559d85ddbdab4d7a6200362849df833632976d095df4")
+ version("4.3", sha256="e0290f9da0d255f90a612e60662b14a97ca53003f89073c6af84fa7bc8739f65")
variant("omp", description="Enables the use of OMP instructions", default=False)
variant("mpi", description="Build with MPI support", default=False)
@@ -31,37 +27,6 @@ class Cpmd(MakefilePackage):
conflicts("^openblas threads=none", when="+omp")
conflicts("^openblas threads=pthreads", when="+omp")
- patch(
- "file://{0}/patch.to.4612".format(basedir),
- sha256="3b7d91e04c40418ad958069234ec7253fbf6c4be361a1d5cfd804774eeb44915",
- level=0,
- when="@4.3",
- )
- patch(
- "file://{0}/patch.to.4615".format(basedir),
- sha256="5ec5790fb6ca64632bcc1b0f5b8f3423c54455766a0979ff4136624bbe8d49eb",
- level=0,
- when="@4.3",
- )
- patch(
- "file://{0}/patch.to.4616".format(basedir),
- sha256="ac0bc215c4259f55da4dc59803fe636f797e241f8a01974e05730c9778ad44c4",
- level=0,
- when="@4.3",
- )
- patch(
- "file://{0}/patch.to.4621".format(basedir),
- sha256="2d2bc7e37246032fc354f51da7dbdb5a219dd228867399931b0e94da1265d5ca",
- level=0,
- when="@4.3",
- )
- patch(
- "file://{0}/patch.to.4624".format(basedir),
- sha256="0a19687528264bf91c9f50ffdc0b920a8511eecf5259b667c8c29350f9dabc53",
- level=0,
- when="@4.3",
- )
-
def edit(self, spec, prefix):
# patch configure file
cbase = "LINUX-GFORTRAN"