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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2026-06-02 19:37:06 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2026-06-02 22:51:16 +0000 |
| commit | ef90cbfcf5bdf22a87eaef0c032c1c43fe4e6c4c (patch) | |
| tree | 82bae38a2680109391d2c63035064e7ae1d7726b | |
| parent | e9132ac6910d4de81b62c1dfa2389ea808e7127f (diff) | |
science/py-plumed: New port: Python interface to PLUMED
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-plumed/Makefile | 25 | ||||
| -rw-r--r-- | science/py-plumed/distinfo | 3 | ||||
| -rw-r--r-- | science/py-plumed/pkg-descr | 5 |
4 files changed, 34 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index cf0c3d2e9269..636e67d8a5b7 100644 --- a/science/Makefile +++ b/science/Makefile @@ -401,6 +401,7 @@ SUBDIR += py-periodictable SUBDIR += py-phono3py SUBDIR += py-phonopy + SUBDIR += py-plumed SUBDIR += py-pnetcdf SUBDIR += py-pupynere SUBDIR += py-py3Dmol diff --git a/science/py-plumed/Makefile b/science/py-plumed/Makefile new file mode 100644 index 000000000000..1aa3560faf77 --- /dev/null +++ b/science/py-plumed/Makefile @@ -0,0 +1,25 @@ +PORTNAME= plumed +DISTVERSION= 2.10.0 +CATEGORIES= science python +MASTER_SITES= PYPI +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Python interface to PLUMED +WWW= http://www.plumed.org + +LICENSE= LGPL3 + +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}setuptools>0:devel/py-setuptools@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} +RUN_DEPENDS= ${LOCALBASE}/lib/libplumedKernel.so:science/plumed \ + ${PYTHON_PKGNAMEPREFIX}numpy>0,1:math/py-numpy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} + +USES= python +USE_PYTHON= pep517 autoplist pytest + +TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} \ + PLUMED_KERNEL=${LOCALBASE}/lib/libplumedKernel.so + +.include <bsd.port.mk> diff --git a/science/py-plumed/distinfo b/science/py-plumed/distinfo new file mode 100644 index 000000000000..545e88d746a7 --- /dev/null +++ b/science/py-plumed/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1780428376 +SHA256 (plumed-2.10.0.tar.gz) = 5568c5bd37c76c33357b399eef92c6c2c41295259a7b8055a234b4c3d69c2202 +SIZE (plumed-2.10.0.tar.gz) = 341588 diff --git a/science/py-plumed/pkg-descr b/science/py-plumed/pkg-descr new file mode 100644 index 000000000000..6f678eb672fa --- /dev/null +++ b/science/py-plumed/pkg-descr @@ -0,0 +1,5 @@ +Python interface to PLUMED. + +PLUMED is an open-source library for free-energy calculations in molecular +systems which can be used in combination with many different molecular +dynamics engines. |